NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0026 8.3549 109.7365 45.2588 0.0000 172.9836 2 S 4.4884 7.9525 115.4994 57.3364 70.0800 174.4812 3 K 3.8102 8.1610 119.0110 56.8764 33.2250 176.2594 4 V 3.5417 8.5008 122.2306 61.9703 31.4720 175.6614 5 E 4.0848 8.5802 122.7081 56.1706 30.0079 176.0842 6 D 4.4172 8.3976 123.5183 52.6789 42.2034 173.7445 7 P 4.4734 0.0000 0.0000 62.4451 32.0111 176.0688 8 K 4.3618 8.4086 120.8145 55.9821 33.3486 175.6520 9 D 4.6648 7.2560 116.3019 55.1495 45.3192 175.2315 10 F 4.4682 9.3513 116.9098 56.2903 40.2053 173.6382 11 P 4.6637 0.0000 0.0000 62.2615 32.3570 177.2557 12 S 4.1759 8.9794 115.4345 61.6381 62.5308 176.2308 13 E 4.0091 8.6173 118.7522 59.6172 28.9709 177.8664 14 L 4.7203 8.2565 116.1837 55.0855 41.8393 177.8386 15 L 4.5868 7.8273 118.1354 55.3574 41.4633 177.6585 16 S 4.2811 7.2488 113.4247 59.7259 62.6920 174.7824 17 F 5.0745 7.4958 113.8647 55.5906 38.0168 172.6545 18 L 4.6720 7.7130 126.1103 54.6269 45.8931 174.9358 19 S 4.2692 8.3427 111.0308 61.0246 62.8390 173.9245 20 H 4.2189 7.3690 118.8411 55.2046 27.0266 174.6536 21 A 3.9433 7.7256 120.7385 53.3562 18.6703 177.4420 22 V 4.2533 8.5700 121.8138 63.4408 32.6637 176.1953 23 F 4.7670 8.0965 117.4855 57.1302 39.4899 176.0455 24 S 4.5138 8.0841 117.8503 58.7588 63.5774 174.1648 25 N 4.9899 8.5881 117.4582 53.4414 39.2835 174.4059 26 R 4.4167 7.8115 117.4246 54.9536 31.6297 175.9514 27 T 4.4089 8.2862 112.4774 60.6657 69.5872 173.8552 28 L 4.5560 8.1592 125.5395 52.9346 44.3657 177.0794 29 A 4.7973 8.2302 121.7177 51.7509 21.0277 175.1551 30 C 4.7588 6.9875 116.6863 57.4886 34.7893 172.7929 31 F 4.8211 7.9668 122.4445 55.5378 43.9682 173.7959 32 A 4.9436 8.7968 121.6721 50.3706 21.6758 175.4972 33 I 4.5166 9.0240 123.3189 62.1734 39.1584 175.2578 34 Y 4.8373 8.8910 126.2581 56.9105 41.4824 173.7658 35 T 4.1305 8.7825 120.7569 60.7625 71.7950 172.4869 36 T 4.3473 7.0228 113.0538 61.6923 69.3465 175.2355 37 K 4.0340 8.8811 122.0675 60.6033 32.5054 179.0128 38 E 3.9892 8.3320 118.4312 58.6763 29.5114 179.4804 39 K 4.1255 7.4859 118.2087 59.4820 32.3308 178.9402 40 A 4.0308 7.8499 120.2910 55.4924 17.6786 179.5769 41 A 4.0417 8.1267 119.0449 55.2450 18.1552 179.8928 42 L 4.0199 8.0485 117.6725 57.5447 41.7410 179.0998 43 L 4.1764 7.8682 117.5193 56.3424 41.8693 178.4545 44 Y 3.7143 7.8936 120.3171 60.6802 38.7154 177.6296 45 K 4.3448 7.7597 115.8546 58.6705 32.4793 178.5586 46 K 4.2854 7.6235 119.4537 58.6009 32.3416 178.7597 47 I 3.8184 8.3124 120.2272 64.6400 36.9170 178.0233 48 M 3.8838 7.4287 118.0341 57.9402 31.9654 176.2837 49 E 4.5901 8.0977 116.1685 55.5345 31.6279 176.4854 50 K 3.9808 8.0152 118.4892 59.0109 32.4959 176.6622 51 Y 4.6625 7.8503 113.0441 56.5086 39.8615 175.3575 52 S 3.8070 8.3941 114.1404 61.2319 60.5021 173.3288 53 V 4.3393 7.2821 110.5888 62.0917 31.3402 178.0506 54 T 4.0879 8.6721 122.3497 64.9168 68.8262 174.1340 55 F 4.8874 6.9288 124.1761 57.7810 44.1229 172.2599 56 I 5.0306 7.0598 125.7948 58.0498 41.1932 173.7404 57 S 5.0921 8.2732 122.8091 56.6044 66.2037 172.5120 58 R 4.8064 8.8618 126.4454 55.9333 31.3043 175.6766 59 H 5.1267 8.8666 120.8236 54.2198 32.5438 173.1373 60 N 5.1613 8.7516 116.5471 53.3560 40.9703 173.4104 61 S 4.6083 8.8984 117.2946 58.4791 63.2047 174.4143 62 Y 4.8193 8.5229 111.9388 58.5608 41.3585 175.7357 63 N 4.8375 8.4052 113.5429 54.3357 41.0654 173.3456 64 H 5.3485 7.8977 114.0651 54.2012 32.3141 171.7164 65 N 5.3689 8.4728 115.7449 52.3765 42.6231 174.2616 66 I 4.6928 8.2076 120.8156 59.5937 39.6897 175.3728 67 L 4.5267 8.7541 131.2919 54.3493 42.1983 175.5206 68 F 5.2211 9.3823 129.9128 58.1324 41.1322 174.2579 69 F 5.4597 7.8084 116.8980 57.0975 41.5928 173.7207 70 L 4.6946 8.1876 126.2416 54.6053 44.8498 174.4090 71 T 4.5906 7.9671 107.3922 60.7507 71.0896 171.1320 72 P 4.3312 0.0000 0.0000 64.1491 32.0118 177.6324 73 H 4.2390 8.3285 116.2268 55.3199 29.1783 174.4481 74 R 4.6448 8.2058 117.7183 55.1111 31.7427 175.8840 75 H 5.0191 8.0939 114.8087 54.2948 32.4248 172.9232 76 R 4.2345 8.7289 121.5307 56.0643 31.1012 177.4593 77 V 4.0409 8.7186 123.7914 65.7482 31.2314 178.3223 78 S 4.0978 7.9698 111.7622 61.3527 62.5954 175.3839 79 A 4.1292 8.0764 123.5594 55.3375 18.3035 179.5903 80 I 3.5411 7.7828 117.4543 64.4054 37.0341 178.0223 81 N 4.3633 8.3429 117.9932 56.7743 38.8336 176.3866 82 N 4.3736 8.3031 118.3168 57.0357 38.6742 175.6310 83 Y 3.8936 7.8897 120.6366 60.3393 38.7594 177.3372 84 A 4.3135 8.2742 121.5125 55.1489 18.4244 179.5012 85 Q 3.9673 8.1946 116.9835 58.8830 28.6860 178.5096 86 K 4.0334 7.9886 118.0827 57.9183 32.6090 177.2843 87 L 5.1191 7.2926 119.2758 54.7595 41.9935 175.9857 88 C 4.3607 7.4397 108.3962 58.4102 30.0536 174.4881 89 T 4.4101 6.0421 106.1414 62.0860 68.8891 174.6609 90 F 4.8350 6.4049 111.9923 56.8191 39.1860 173.7587 91 S 4.8446 7.1613 116.7450 58.5232 65.3210 175.9657 92 F 4.4647 8.2265 116.8717 57.0335 38.3554 174.2866 93 L 4.1083 8.0396 122.1285 53.3566 44.9035 176.0292 94 I 4.8676 8.1027 126.1535 60.0205 37.1808 173.9985 95 C 4.9100 8.1276 122.9118 59.2500 33.3008 172.9393 96 K 4.7017 9.0701 123.1405 55.3910 37.0646 174.7892 97 G 4.1091 8.3080 108.2541 45.0133 0.0000 172.9758 98 V 4.3481 7.4355 118.3312 61.7216 33.9672 174.5298 99 N 4.4024 8.8586 124.3840 54.2688 39.6024 175.1160 100 K 4.3071 7.4685 118.7977 53.9575 31.2424 176.0827 101 E 3.8131 7.8648 121.8924 59.1141 29.0066 178.1132 102 Y 3.5584 7.0448 120.9603 59.9380 39.4749 178.0171 103 L 4.0908 8.0744 120.0194 59.4898 42.3389 178.2523 104 M 2.0000 7.5322 114.8734 58.9633 31.9901 176.9469 105 Y 3.3294 7.6165 120.5794 60.4818 39.3656 179.2050 106 S 3.8087 7.7400 114.9300 61.4677 63.0274 176.4630 107 A 4.1799 7.8251 123.4426 53.8450 18.2807 178.9793 108 L 3.8587 7.1416 117.4235 57.6279 41.6609 179.0890 109 T 3.8892 7.1229 109.0525 62.9329 69.6886 175.1168 110 R 4.3204 7.3455 121.4023 54.5504 31.2217 175.1770 111 D 4.7574 8.5636 124.0908 54.1265 41.4945 174.7288 112 P 4.4771 0.0000 0.0000 63.0686 31.2663 175.3589 113 F 5.1328 7.5338 118.0390 56.6568 40.3630 176.2384 114 S 4.6906 8.6623 118.8854 57.4378 65.6246 172.7532 115 V 4.5710 8.2473 119.0411 61.6947 33.1044 174.1093 116 I 4.3591 8.5660 127.6019 62.5249 38.3605 175.6460 117 E 4.8707 7.3512 118.3449 55.4221 34.4790 172.9639 118 E 5.8993 8.4151 115.6585 56.8693 30.8917 176.8308 119 S 4.4015 8.7195 116.5892 60.7263 63.5124 174.9895 120 L 4.4911 8.0132 120.8654 53.5219 42.2534 175.4807 121 P 4.5274 0.0000 0.0000 64.0588 31.8303 177.4253 122 G 4.1072 7.7785 109.0602 44.1632 0.0000 174.6723 123 G 3.9199 8.1262 109.5448 44.3010 0.0000 172.8082 124 L 2.0000 5.6200 115.0824 55.6643 40.8611 178.0131 125 K 4.0902 9.2505 118.0568 57.5195 30.7833 175.3146 126 E 3.7507 7.5625 119.1515 56.5663 30.4514 177.0592 127 H 4.5459 7.4764 122.6705 54.1567 27.5763 176.3475 128 D 4.5048 6.5090 111.9410 55.1518 43.5618 176.9434 129 F 5.3421 7.4263 119.2190 56.1711 41.1361 174.3658 130 N 5.1141 8.5094 117.4255 51.3872 41.8274 172.5557 131 P 4.5636 0.0000 0.0000 62.0880 32.5694 175.2263 132 E 4.8638 8.1668 114.8466 55.5968 30.9283 176.4345 133 S 4.0579 8.8679 116.5711 59.6465 63.2544 174.7478 134 S 4.1722 8.4221 118.6478 58.5506 62.3741 173.2435 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.95 4.49 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.16 3.81 0.00 1.86 1.87 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.40 7.81 4 V 8.50 3.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 5 E 8.58 4.08 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 6 D 8.40 4.42 0.00 2.50 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.47 0.00 2.32 2.23 0.00 2.98 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.93 0.00 8 K 8.41 4.36 0.00 1.92 1.96 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.47 7.81 9 D 7.26 4.66 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 9.35 4.47 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.66 0.00 2.73 2.60 0.00 3.74 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.01 0.00 12 S 8.98 4.18 0.00 3.91 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.62 4.01 0.00 2.41 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 14 L 8.26 4.72 0.00 1.96 1.98 1.07 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.83 4.59 0.00 1.79 1.74 1.06 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.25 4.28 0.00 3.33 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.50 5.07 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.71 4.67 0.00 1.56 1.21 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.34 4.27 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.37 4.22 0.00 3.41 3.41 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.73 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.57 4.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.07 0.00 0.00 23 F 8.10 4.77 0.00 2.95 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.08 4.51 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.59 4.99 0.00 2.65 2.77 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.81 4.42 0.00 1.77 1.79 0.00 3.15 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 27 T 8.29 4.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 L 8.16 4.56 0.00 0.97 1.09 0.69 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 4.80 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 6.99 4.76 0.00 2.68 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.97 4.82 0.00 1.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.80 4.94 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 9.02 4.52 2.18 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.39 0.99 0.00 0.00 34 Y 8.89 4.84 0.00 2.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.78 4.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 36 T 7.02 4.35 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 37 K 8.88 4.03 0.00 2.04 2.31 0.00 1.58 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.57 7.81 38 E 8.33 3.99 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 39 K 7.49 4.13 0.00 2.07 1.84 0.00 1.59 0.00 0.00 2.04 0.00 0.00 2.61 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.80 1.50 7.81 40 A 7.85 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.13 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.05 4.02 0.00 1.88 1.68 0.53 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.87 4.18 0.00 1.60 1.67 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.89 3.71 0.00 3.26 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.76 4.34 0.00 1.85 1.89 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.49 7.81 46 K 7.62 4.29 0.00 2.11 1.95 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.62 7.81 47 I 8.31 3.82 1.59 0.00 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.22 0.74 0.00 0.00 48 M 7.43 3.88 0.00 2.00 2.40 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 49 E 8.10 4.59 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 50 K 8.02 3.98 0.00 1.84 1.90 0.00 2.44 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.59 1.25 7.81 51 Y 7.85 4.66 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.39 3.81 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.28 4.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.84 0.00 0.00 54 T 8.67 4.09 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 55 F 6.93 4.89 0.00 3.25 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.06 5.03 1.43 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 1.65 -0.10 0.00 0.00 57 S 8.27 5.09 0.00 3.98 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.86 4.81 0.00 1.88 1.92 0.00 3.22 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 59 H 8.87 5.13 0.00 3.03 3.33 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.75 5.16 0.00 2.71 2.75 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.90 4.61 0.00 2.72 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 8.52 4.82 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.41 4.84 0.00 2.45 2.67 0.00 0.00 6.83 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 7.90 5.35 0.00 3.66 3.66 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.47 5.37 0.00 2.75 2.93 0.00 0.00 7.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.21 4.69 1.76 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.48 1.09 0.00 0.00 67 L 8.75 4.53 0.00 1.91 1.67 1.12 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.38 5.22 0.00 3.38 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 7.81 5.46 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.19 4.69 0.00 1.85 1.64 0.69 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.97 4.59 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 72 P 0.00 4.33 0.00 2.29 2.11 0.00 4.01 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 73 H 8.33 4.24 0.00 3.37 3.48 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.21 4.64 0.00 1.71 1.84 0.00 3.20 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 75 H 8.09 5.02 0.00 3.28 3.45 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.73 4.23 0.00 1.94 1.83 0.00 3.17 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 77 V 8.72 4.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 78 S 7.97 4.10 0.00 3.54 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.08 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.78 3.54 1.53 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 0.29 0.00 0.00 81 N 8.34 4.36 0.00 3.06 3.00 0.00 0.00 6.86 6.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.30 4.37 0.00 2.93 2.89 0.00 0.00 6.89 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.89 3.89 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.27 4.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.19 3.97 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 86 K 7.99 4.03 0.00 1.70 1.76 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.53 7.81 87 L 7.29 5.12 0.00 1.72 2.00 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.44 4.36 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 6.04 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 90 F 6.40 4.83 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.16 4.84 0.00 4.04 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.23 4.46 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.04 4.11 0.00 1.37 1.43 0.88 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.10 4.87 2.12 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.19 1.35 0.00 0.00 95 C 8.13 4.91 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.07 4.70 0.00 1.26 1.22 0.00 1.72 0.00 0.00 1.51 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.37 7.81 97 G 8.31 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.44 4.35 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.92 0.00 0.00 99 N 8.86 4.40 0.00 2.69 2.79 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.47 4.31 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.46 7.81 101 E 7.86 3.81 0.00 1.43 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.47 0.00 102 Y 7.04 3.56 0.00 2.85 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.07 4.09 0.00 1.77 1.68 1.34 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 M 7.53 2.00 0.00 2.24 1.46 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.77 0.00 105 Y 7.62 3.33 0.00 3.05 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.74 3.81 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.83 4.18 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.14 3.86 0.00 0.93 0.99 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.12 3.89 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 110 R 7.35 4.32 0.00 2.01 1.83 0.00 3.15 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 111 D 8.56 4.76 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.48 0.00 1.87 1.91 0.00 3.26 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.69 0.00 113 F 7.53 5.13 0.00 3.28 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.66 4.69 0.00 3.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.25 4.57 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 116 I 8.57 4.36 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.92 0.00 0.00 117 E 7.35 4.87 0.00 1.86 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 118 E 8.42 5.90 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 119 S 8.72 4.40 0.00 4.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.01 4.49 0.00 2.17 1.76 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.53 0.00 2.22 2.21 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 122 G 7.78 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.13 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 5.62 2.00 0.00 0.99 1.60 0.46 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 125 K 9.25 4.09 0.00 1.81 1.91 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.31 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.59 7.81 126 E 7.56 3.75 0.00 1.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.60 0.00 127 H 7.48 4.55 0.00 3.07 3.13 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 6.51 4.50 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.43 5.34 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.51 5.11 0.00 2.68 2.68 0.00 0.00 6.85 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.56 0.00 2.16 2.03 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 132 E 8.17 4.86 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 133 S 8.87 4.06 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.42 4.17 0.00 3.92 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00